ZLI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C7 | sing | 1.47Å | 1.50Å | |
| N | C8 | sing | 1.35Å | 1.40Å | |
| C7 | C4 | sing | 1.51Å | 1.51Å | |
| C9 | C8 | sing | 1.51Å | 1.55Å | |
| C9 | C10 | sing | 1.51Å | 1.49Å | |
| C8 | O | doub | 1.21Å | 1.23Å | |
| C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C10 | doub | 1.33Å | 1.37Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.44Å | Aromatic |
| C10 | S | sing | 1.76Å | 1.72Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C13 | doub | 1.33Å | 1.36Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.40Å | Aromatic |
| S | C13 | sing | 1.76Å | 1.71Å | Aromatic |
| C6 | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | C | sing | 1.51Å | 1.49Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| N | H6 | sing | 0.97Å | 1.00Å | |
| C | H7 | sing | 1.09Å | 1.10Å | |
| C | H8 | sing | 1.09Å | 1.10Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| C2 | H12 | sing | 1.08Å | 1.08Å | |
| C3 | H13 | sing | 1.08Å | 1.08Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | N | C8 | 129.2° | 120.0° |
| N | C7 | C4 | 116.3° | 109.4° |
| N | C7 | H3 | 107.7° | 109.4° |
| N | C7 | H4 | 107.7° | 109.5° |
| C7 | N | H6 | 115.4° | 120.0° |
| N | C8 | C9 | 116.3° | 120.0° |
| N | C8 | O | 123.2° | 120.0° |
| C8 | N | H6 | 115.4° | 120.0° |
| C7 | C4 | C3 | 119.9° | 120.0° |
| C7 | C4 | C5 | 121.0° | 120.0° |
| C4 | C7 | H3 | 107.7° | 109.5° |
| C4 | C7 | H4 | 107.7° | 109.5° |
| C8 | C9 | C10 | 118.8° | 109.4° |
| C9 | C8 | O | 120.5° | 120.0° |
| C8 | C9 | H14 | 107.1° | 109.5° |
| C8 | C9 | H15 | 107.1° | 109.5° |
| C9 | C10 | C11 | 126.6° | 125.2° |
| C9 | C10 | S | 122.2° | 125.2° |
| C10 | C9 | H14 | 107.1° | 109.4° |
| C10 | C9 | H15 | 107.1° | 109.5° |
| C3 | C4 | C5 | 119.1° | 120.0° |
| C4 | C3 | C2 | 120.1° | 120.0° |
| C4 | C3 | H13 | 119.9° | 120.0° |
| C4 | C5 | C6 | 121.1° | 120.0° |
| C4 | C5 | H1 | 119.5° | 120.0° |
| C10 | C11 | C12 | 112.4° | 114.9° |
| C11 | C10 | S | 111.2° | 109.6° |
| C10 | C11 | H10 | 123.8° | 122.6° |
| C11 | C12 | C13 | 111.9° | 114.9° |
| C12 | C11 | H10 | 123.8° | 122.5° |
| C11 | C12 | H11 | 124.1° | 122.5° |
| C10 | S | C13 | 92.2° | 91.0° |
| C3 | C2 | C1 | 120.4° | 120.0° |
| C3 | C2 | H12 | 119.8° | 120.0° |
| C2 | C3 | H13 | 119.9° | 120.0° |
| C5 | C6 | C1 | 120.1° | 120.0° |
| C6 | C5 | H1 | 119.5° | 120.0° |
| C5 | C6 | H2 | 120.0° | 120.0° |
| C12 | C13 | S | 112.2° | 109.6° |
| C12 | C13 | H5 | 123.9° | 125.2° |
| C13 | C12 | H11 | 124.0° | 122.6° |
| C2 | C1 | C6 | 119.2° | 120.0° |
| C2 | C1 | C | 121.0° | 120.0° |
| C1 | C2 | H12 | 119.8° | 120.0° |
| S | C13 | H5 | 123.8° | 125.2° |
| C6 | C1 | C | 119.8° | 120.0° |
| C1 | C6 | H2 | 120.0° | 120.0° |
| C1 | C | H7 | 109.5° | 109.5° |
| C1 | C | H8 | 109.5° | 109.4° |
| C1 | C | H9 | 109.4° | 109.5° |
| H3 | C7 | H4 | 109.5° | 109.5° |
| H7 | C | H8 | 109.5° | 109.4° |
| H7 | C | H9 | 109.5° | 109.5° |
| H8 | C | H9 | 109.4° | 109.5° |
| H14 | C9 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | N | C8 | H6 | 180.0° | 180.0° |
| N | C7 | C4 | H3 | 121.0° | 119.9° |
| N | C7 | C4 | H4 | 121.0° | 120.0° |
| C7 | N | C8 | C9 | 179.3° | 180.0° |
| C7 | N | C8 | O | 0.2° | 0.0° |
| N | C7 | C4 | C3 | 104.5° | 90.0° |
| N | C7 | C4 | C5 | 76.0° | 90.3° |
| N | C7 | H3 | H4 | 116.9° | 120.0° |
| C8 | N | C7 | C4 | 21.8° | 180.0° |
| N | C8 | C9 | O | 179.2° | 180.0° |
| N | C8 | C9 | C10 | 128.5° | 180.0° |
| C8 | N | C7 | H3 | 99.2° | 60.0° |
| C8 | N | C7 | H4 | 142.7° | 60.0° |
| N | C8 | C9 | H14 | 7.2° | 60.0° |
| N | C8 | C9 | H15 | 110.2° | 60.0° |
| C7 | C4 | C3 | C5 | 179.6° | 179.7° |
| C7 | C4 | C3 | C2 | 179.7° | 179.8° |
| C7 | C4 | C5 | C6 | 179.9° | 179.7° |
| C7 | C4 | C5 | H1 | 0.0° | 0.3° |
| C4 | C7 | H3 | H4 | 116.9° | 120.1° |
| C4 | C7 | N | H6 | 158.2° | 0.0° |
| C7 | C4 | C3 | H13 | 0.3° | 0.3° |
| C8 | C9 | C10 | H14 | 121.3° | 120.0° |
| C8 | C9 | C10 | H15 | 121.3° | 120.0° |
| C8 | C9 | C10 | C11 | 115.0° | 89.7° |
| C8 | C9 | C10 | S | 66.7° | 90.0° |
| C9 | C8 | N | H6 | 0.7° | 0.0° |
| C8 | C9 | H14 | H15 | 115.8° | 120.1° |
| C10 | C9 | C8 | O | 52.4° | 0.0° |
| C9 | C10 | C11 | S | 178.5° | 179.7° |
| C9 | C10 | C11 | C12 | 178.4° | 179.8° |
| C9 | C10 | S | C13 | 178.5° | 179.8° |
| C9 | C10 | C11 | H10 | 1.6° | 0.3° |
| C10 | C9 | H14 | H15 | 115.8° | 120.0° |
| O | C8 | N | H6 | 179.9° | 180.0° |
| O | C8 | C9 | H14 | 173.7° | 120.0° |
| O | C8 | C9 | H15 | 68.9° | 120.0° |
| C4 | C3 | C2 | H13 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.5° | 0.0° |
| C4 | C3 | C2 | C1 | 0.1° | 0.1° |
| C3 | C4 | C5 | H1 | 179.5° | 180.0° |
| C3 | C4 | C7 | H3 | 16.5° | 150.0° |
| C3 | C4 | C7 | H4 | 134.6° | 30.0° |
| C4 | C3 | C2 | H12 | 179.9° | 180.0° |
| C5 | C4 | C3 | C2 | 0.7° | 0.1° |
| C4 | C5 | C6 | H1 | 180.0° | 180.0° |
| C4 | C5 | C6 | C1 | 0.4° | 0.0° |
| C4 | C5 | C6 | H2 | 179.7° | 180.0° |
| C5 | C4 | C7 | H3 | 163.1° | 29.6° |
| C5 | C4 | C7 | H4 | 45.0° | 149.7° |
| C5 | C4 | C3 | H13 | 179.3° | 180.0° |
| C10 | C11 | C12 | H10 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.1° | 0.0° |
| C11 | C10 | S | C13 | 0.1° | 0.0° |
| C10 | C11 | C12 | H11 | 179.8° | 180.0° |
| C11 | C10 | C9 | H14 | 6.3° | 30.2° |
| C11 | C10 | C9 | H15 | 123.7° | 150.2° |
| C12 | C11 | C10 | S | 0.1° | 0.0° |
| C11 | C12 | C13 | H11 | 180.0° | 179.9° |
| C11 | C12 | C13 | S | 0.1° | 0.0° |
| C11 | C12 | C13 | H5 | 179.9° | 180.0° |
| C10 | S | C13 | C12 | 0.0° | 0.0° |
| C10 | S | C13 | H5 | 180.0° | 180.0° |
| S | C10 | C11 | H10 | 179.9° | 180.0° |
| S | C10 | C9 | H14 | 172.0° | 150.1° |
| S | C10 | C9 | H15 | 54.6° | 30.1° |
| C3 | C2 | C1 | H12 | 180.0° | 179.9° |
| C3 | C2 | C1 | C6 | 0.8° | 0.1° |
| C3 | C2 | C1 | C | 177.3° | 179.9° |
| C5 | C6 | C1 | C2 | 1.0° | 0.0° |
| C5 | C6 | C1 | H2 | 180.0° | 180.0° |
| C5 | C6 | C1 | C | 177.1° | 180.0° |
| C12 | C13 | S | H5 | 180.0° | 180.0° |
| C13 | C12 | C11 | H10 | 179.9° | 180.0° |
| C2 | C1 | C6 | C | 178.1° | 180.0° |
| C2 | C1 | C6 | H2 | 179.0° | 179.9° |
| C2 | C1 | C | H7 | 91.0° | 89.9° |
| C2 | C1 | C | H8 | 149.0° | 30.0° |
| C2 | C1 | C | H9 | 29.0° | 150.0° |
| C1 | C2 | C3 | H13 | 180.0° | 179.9° |
| S | C13 | C12 | H11 | 179.9° | 180.0° |
| C1 | C6 | C5 | H1 | 179.6° | 179.9° |
| C6 | C1 | C | H7 | 90.9° | 90.1° |
| C6 | C1 | C | H8 | 29.1° | 150.0° |
| C6 | C1 | C | H9 | 149.0° | 30.0° |
| C6 | C1 | C2 | H12 | 179.2° | 179.9° |
| C | C1 | C6 | H2 | 2.9° | 0.1° |
| C1 | C | H7 | H8 | 120.0° | 120.0° |
| C1 | C | H7 | H9 | 120.0° | 120.1° |
| C1 | C | H8 | H9 | 120.0° | 120.0° |
| C | C1 | C2 | H12 | 2.7° | 0.0° |
| H1 | C5 | C6 | H2 | 0.4° | 0.0° |
| H3 | C7 | N | H6 | 80.8° | 120.0° |
| H4 | C7 | N | H6 | 37.2° | 120.0° |
| H5 | C13 | C12 | H11 | 0.1° | 0.1° |
| H7 | C | H8 | H9 | 120.0° | 120.0° |
| H10 | C11 | C12 | H11 | 0.2° | 0.1° |
| H12 | C2 | C3 | H13 | 0.0° | 0.1° |
